input word = C00057281

Metabolite InformationStructural formula
Name Prosapogenin
Formula C36H54O11
Mw 662.36661257
CAS RN 1393-03-9
C_ID C00057281
InChIKey PIGTXFOGKFOFTO-FVFWYJKVSA-N
InChICode InChI=1S/C36H54O11/c1-31(2)13-14-36(30(44)45)19(15-31)18-7-8-21-32(3)11-10-23(46-29-26(41)24(39)25(40)27(47-29)28(42)43)33(4,17-37)20(32)9-12-34(21,5)35(18,6)16-22(36)38/h7,17,19-27,29,38-41H,8-16H2,1-6H3,(H,42,43)(H,44,45)/t19-,20+,21+,22+,23-,24-,25-,26+,27-,29+,32-,33-,34+,35+,36+/m0/s1
SMILES [H][C@@]12[C@@](CCC(C)(C)C2)(C(O)=O)[C@H](O)C[C@@]3(C)[C@]4(C)CC[C@@]5([H])[C@](C)(C=O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O6)CC[C@]5(C)[C@@]4([H])CC=C31
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeQuillajaceaeQuillaja saponaria Ref.
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